SCHEMBL23419018

SCHEMBL23419018

N=CCCC1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.35
▸ SLC6A1 P30531 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ SLC6A12 P48065 2/20 0.34
▸ SLC6A11 P48066 2/20 0.34
▸ SLC6A13 Q9NSD5 2/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRR1 P24046 1/20 0.34
▸ GABRA4 P48169 1/20 0.34
▸ GBA1 P04062 1/20 0.33
▸ GNAO1 P09471 1/20 0.33
▸ SLC6A4 P31645 2/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ITGB3 P05106 2/20 0.31
▸ ITGA2B P08514 2/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13673452 0.86 HRH3 (0.39) HRH3GBA1GNAO1SLC6A4ALOX15
SCHEMBL5497751 0.80 HRH3 (0.37) HRH3SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL5260953 0.78 GNAO1 (0.38) HRH3SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL2409711 0.76 GABRA5 (0.43) HRH3SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL5261715 0.76 HRH3 (0.35) HRH3SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL332080 0.76 GNAO1 (0.45) HRH3SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL12781705 0.75 — —
Hydrochloric Acid SCHEMBL31392340 0.74 GNAO1 (0.36) HRH3SLC6A1GABRA5GABRB2SLC6A12
Hydrochloric Acid SCHEMBL3670602 0.73 GNAO1 (0.48) HRH3SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL9384345 0.73 GNAO1 (0.44) HRH3SLC6A1GABRA5GABRB2SLC6A12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-05-27 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210154179-A1 SUBSTITUTED PYRIDINES AND METHODS OF USE ALK, ACVR1, ACVR2A HRH3 970/4885SLC6A1 3633/4885GABRA5 379/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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